N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide

C11H13N3O2S — CID 22570228

IUPACN-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cnc[nH]1)c1ccccc1
InChIInChI=1S/C11H13N3O2S/c15-17(16,11-4-2-1-3-5-11)14-7-6-10-8-12-9-13-10/h1-5,8-9,14H,6-7H2,(H,12,13)
InChIKeyJEYJVHROJCJVRV-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.93
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide

N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 22570228) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
PubChem CID22570228
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cnc[nH]1)c1ccccc1
InChIInChI=1S/C11H13N3O2S/c15-17(16,11-4-2-1-3-5-11)14-7-6-10-8-12-9-13-10/h1-5,8-9,14H,6-7H2,(H,12,13)
InChIKeyJEYJVHROJCJVRV-UHFFFAOYSA-N
XLogP0.93
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide (CID 22570228) is N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1cnc[nH]1)c1ccccc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is JEYJVHROJCJVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c15-17(16,11-4-2-1-3-5-11)14-7-6-10-8-12-9-13-10/h1-5,8-9,14H,6-7H2,(H,12,13).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 251.31 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 22570228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).